5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one

C15H12ClIN2O — CID 43716228

IUPAC5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cc1I
InChIInChI=1S/C15H12ClIN2O/c1-8-2-4-10(7-12(8)17)18-14-11-6-9(16)3-5-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyGNBBZPCVXAAUBQ-UHFFFAOYSA-N
MW398.63 g/mol
LogP4.36
Rot. Bonds2

About 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one

5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 43716228) has the molecular formula C15H12ClIN2O and a molecular weight of 398.63 g/mol. Its IUPAC name is 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
PubChem CID43716228
Molecular FormulaC15H12ClIN2O
Molecular Weight398.63 g/mol
Exact Mass397.97
IUPAC Name5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cc1I
InChIInChI=1S/C15H12ClIN2O/c1-8-2-4-10(7-12(8)17)18-14-11-6-9(16)3-5-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20)
InChIKeyGNBBZPCVXAAUBQ-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.63
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one (CID 43716228) is 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one is Cc1ccc(NC2C(=O)Nc3ccc(Cl)cc32)cc1I.
What is the InChIKey of 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is GNBBZPCVXAAUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2O/c1-8-2-4-10(7-12(8)17)18-14-11-6-9(16)3-5-13(11)19-15(14)20/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one?
5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one has a molecular weight of 398.63 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-iodo-4-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43716228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).